Table 1. Model details of the Au(111) surface in contact with a sodium halide solution (1.81 M, 3.87 and 7.78 M).

Name of surfaces	No. of halide ions	No. of water molecules	Box dimensions X [nm], Y [nm] Z [nm]
1.81 M
Au(111)	90 Cl–	2761	4.02, 4.02, 7.04
Au(111)	90 Br–	2761	4.02, 4.02, 7.03
Au(111)	90 I–	2761	4.02, 4.02, 7.04
3.87 M
Au(111)	180 Br–	2581	4.01, 4.01, 7.03
Au(111)	180 I–	2581	4.01, 4.01, 7.02
7.78 M
Au(111)	360 Cl–	2221	4.02, 4.02, 7.03
Au(111)	360 Br–	2221	4.02, 4.02, 7.03
Au(111)	360 I–	2221	4.01, 4.01, 7.02